Nd3Sb
Alexandria ALEXAlex-ID: agm005543463 · 空间群: P4_2/n (#86)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_281_spg86
Nd5Sb3 Nd
2023-05-28 19:15:43.006346
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005543463).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005543463
data_agm005543463
_cell_length_a 6.29305
_cell_length_b 12.87144
_cell_length_c 12.87144
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1042.59331
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1 Nd 0.00276 0.28268 0.82309 1.00000
Nd2 Nd 0.00276 0.71732 0.17691 1.00000
Nd3 Nd 0.50276 0.67691 0.78268 1.00000
Nd4 Nd 0.50276 0.32309 0.21732 1.00000
Nd5 Nd 0.49724 0.21732 0.67691 1.00000
Nd6 Nd 0.49724 0.78268 0.32309 1.00000
Nd7 Nd 0.99724 0.82309 0.71732 1.00000
Nd8 Nd 0.99724 0.17691 0.28268 1.00000
Nd9 Nd 0.52393 0.38995 0.91725 1.00000
Nd10 Nd 0.52393 0.61005 0.08275 1.00000
Nd11 Nd 0.02393 0.58275 0.88995 1.00000
Nd12 Nd 0.02393 0.41725 0.11005 1.00000
Nd13 Nd 0.97607 0.11005 0.58275 1.00000
Nd14 Nd 0.97607 0.88995 0.41725 1.00000
Nd15 Nd 0.47607 0.91725 0.61005 1.00000
Nd16 Nd 0.47607 0.08275 0.38995 1.00000
Nd17 Nd 0.72647 0.02814 0.85917 1.00000
Nd18 Nd 0.72647 0.97186 0.14083 1.00000
Nd19 Nd 0.22647 0.64083 0.52814 1.00000
Nd20 Nd 0.22647 0.35917 0.47186 1.00000
Nd21 Nd 0.77353 0.47186 0.64083 1.00000
Nd22 Nd 0.77353 0.52814 0.35917 1.00000
Nd23 Nd 0.27353 0.85917 0.97186 1.00000
Nd24 Nd 0.27353 0.14083 0.02814 1.00000
Sb1 Sb 0.78032 0.79850 0.95769 1.00000
Sb2 Sb 0.78032 0.20150 0.04231 1.00000
Sb3 Sb 0.28032 0.54231 0.29850 1.00000
Sb4 Sb 0.28032 0.45769 0.70150 1.00000
Sb5 Sb 0.71968 0.70150 0.54231 1.00000
Sb6 Sb 0.71968 0.29850 0.45769 1.00000
Sb7 Sb 0.21968 0.95769 0.20150 1.00000
Sb8 Sb 0.21968 0.04231 0.79850 1.00000
